SCHEMBL9389552

SCHEMBL9389552

Cn1c(=O)cc(N2CCN(CCCc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.59
SIGMAR1 Q99720 3/20 0.55
KCNH2 Q12809 10/20 0.51
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9389285 0.94 KCNJ1 (0.60) KCNJ1SIGMAR1KCNH2LMNAHRH3
SCHEMBL9384677 0.86 HRH3 (0.54) LMNAHRH3KDM4EALDH1A1PKM
SCHEMBL9428657 0.84 LMNA (0.51) SIGMAR1LMNAKDM4EALDH1A1PKM
SCHEMBL9383628 0.81 KCNJ1 (0.63) KCNJ1SIGMAR1KCNH2HRH3ALDH1A1
SCHEMBL9384376 0.78 KCNJ1 (0.58) KCNJ1SIGMAR1KCNH2HRH3ALDH1A1
SCHEMBL9384842 0.78 KCNJ1 (0.58) KCNJ1SIGMAR1KCNH2HRH3ALDH1A1
SCHEMBL9428430 0.78 SMN1; SMN2 (0.60) KCNJ1KCNH2LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9384359 0.77 KCNJ1 (0.57) KCNJ1SIGMAR1KCNH2HRH3ALDH1A1
SCHEMBL9389722 0.77 MAPT (0.46) SIGMAR1LMNAKDM4EALDH1A1PKM
Oxalic Acid SCHEMBL9388424 0.77 KCNJ1 (0.57) KCNJ1SIGMAR1KCNH2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed